SCHEMBL4862683

SCHEMBL4862683

Cc1nc2cc(CC(N)C(=O)N3CCC(N4CCCCC4)CC3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 12/20 0.51
CYP3A4 P08684 7/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
CHRM1 P11229 2/20 0.42
ALOX15 P16050 1/20 0.42
ROCK2 O75116 1/20 0.41
OPRD1 P41143 1/20 0.40
CALCA P06881 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3593154 0.83 DPP8 (0.46) CALCRLCYP3A4DPP8CHRM1ALOX15
SCHEMBL6808413 0.81 CALCRL (0.46) CALCRLCYP3A4DPP8CHRM1ALOX15
SCHEMBL3602707 0.81 CALCRL (0.60) CALCRLCYP3A4ROCK2CALCA
SCHEMBL3279496 0.81 DPP8 (0.49) DPP8CHRM1ALOX15OPRD1CALCA
SCHEMBL4587732 0.81 CALCRL (0.59) CALCRLCYP3A4DPP8CHRM1ALOX15
SCHEMBL4586616 0.79 CALCRL (0.51) CALCRLCYP3A4DPP8CHRM1ALOX15
SCHEMBL3314171 0.78 DPP8 (0.47) DPP8CHRM1ALOX15CALCA
SCHEMBL4722265 0.78 DPP8 (0.47) CYP3A4DPP8CHRM1ALOX15CALCA
SCHEMBL4585876 0.78 CALCRL (0.59) CALCRLCYP3A4DPP8CHRM1ALOX15
SCHEMBL3279033 0.78 DPP8 (0.48) DPP8CHRM1ALOX15OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US claimed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US claimed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCRL 1/4885CYP3A4 3269/4885FGFR1 543/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH CALCRL 430/4885CYP3A4 3940/4885FGFR1 4840/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL CALCRL 3/4885CYP3A4 3634/4885FGFR1 1237/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCRL 1/4885CYP3A4 3269/4885FGFR1 543/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.